Synthesis and in vitro evaluation of tetrahydropyridines as potential CDK2 and DprE1 inhibitors
摘要
The present work describes the unrevealed potential of tetrahydropyridines as anticancer and anti-tubercular agents along with DFT, ADMET, drug-likeliness and molecular docking studies synthesized by using Bronsted acidic ionic liquid viz. 1-methyl-3-(4-sulfobutyl)-1H-imidazol-3-ium chloride [MSbIM-Cl]. The synthesized derivatives have been screened for their anticancer and anti-tubercular evaluation against MCF-7 cell lines and Mycobacterium tuberculosis respectively. The compound 4e showed the highest anticancer activity while the compound 4h showed the highest anti-tubercular activity. The in vitro evaluation has been supported by computational methods such as molecular docking, density functional study and in silico ADMET and drug-likeliness prediction.
Graphical abstract